SCHEMBL1869079

SCHEMBL1869079

CC(=O)NCC1CSCSC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.37
MTNR1B P49286 8/20 0.37
FUCA1 P04066 1/20 0.37
CACNA1H O95180 1/20 0.36
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENGASE Q8NFI3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1859762 0.76 FUCA1 (0.35) MTNR1AMTNR1BFUCA1GLANPSR1
SCHEMBL1869077 0.76 FUCA1 (0.36) MTNR1AMTNR1BFUCA1CACNA1HGLA
SCHEMBL48633 0.75
SCHEMBL13165688 0.75 TDP1 (0.58) MTNR1AMTNR1BFUCA1CACNA1HGLA
Hydrochloric Acid SCHEMBL4553435 0.73
SCHEMBL5969117 0.71
SCHEMBL5968680 0.71 EPHX1 (0.57) CACNA1HALOX15TDP1
SCHEMBL7391975 0.71
SCHEMBL25009603 0.70 EPHX1 (0.61) TDP1TSHR
SCHEMBL1860756 0.70 FUCA1 (0.43) MTNR1AMTNR1BFUCA1CACNA1HGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF MTNR1A 2515/4885MTNR1B 2329/4885FUCA1 1655/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.